SCHEMBL29648045

SCHEMBL29648045

c1ccc2c(N3CCCC3)nncc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
LMNA P02545 2/20 0.69
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
GFER P55789 2/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
ATM Q13315 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
PDGFRB P09619 1/20 0.48
PDE10A Q9Y233 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22440038 1.00 KMT2A (0.69) KMT2ALMNAHPGDSMN1; SMN2KDM4E
SCHEMBL1268259 0.98 KMT2A (0.67) KMT2ALMNAHPGDSMN1; SMN2KDM4E
SCHEMBL22440034 0.86 KMT2A (0.54) KMT2ALMNAHPGDSMN1; SMN2KDM4E
SCHEMBL31572208 0.86 KMT2A (0.54) KMT2ALMNAHPGDSMN1; SMN2KDM4E
SCHEMBL2274982 0.84 LMNA (0.63) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL22440005 0.84 LMNA (0.63) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL30552303 0.84 LMNA (0.63) KMT2ALMNAHPGDKDM4EALDH1A1
SCHEMBL22582748 0.83 LMNA (0.66) KMT2ALMNAHPGDL3MBTL1PDE10A
SCHEMBL31572203 0.83 LMNA (0.66) KMT2ALMNAHPGDL3MBTL1PDE10A
SCHEMBL899698 0.82 KMT2A (0.73) KMT2ALMNAHPGDSMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111712246-B Bis (hydroxymethyl) pyrrolopyrazine hybrid, preparation method and application thereof 周美吟 2025-05-06 CN disclosed
EP-3999498-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES Kinnate Biopharma Inc. (US) 2022-05-25 EP disclosed